Post by Alex Müller

📝👨‍🔬 Exciting news! Our new article, "Machine Learning-Assisted Iterative Screening for Efficient Detection of Drug Discovery Starting Points," has just been published in the #ACS Journal of Medicinal Chemistry! It showcases a prospective evaluation of active learning-assisted iterative high-throughput screening in a large-scale drug discovery project. By screening just 6% of a two-million compound library, we already recovered 44% of all primary actives, including the main project series. This demonstrates the significant potential of ML-guided iterative screening to reduce experimental costs and timelines while maintaining high-quality hit discovery. A huge thank you to my former #Roche colleagues and co-authors for their hard work and dedication: Markus Hierl, Dominik Heer, Paul Westwood, Philippe Hartz, Bigna Wörsdörfer, Christian Kramer, Wolfgang Haap, Doris Roth and Michael Reutlinger! Read the full article here: https://lnkd.in/gVX4kMKf #DrugDiscovery #MachineLearning #HTS #MedicinalChemistry #ActiveLearning #Research